6'''-(3-Hydroxy-3-methylglutaroyl)isoviolanthin

Properties Image Occurences in reactions MNX_ID MNXM38429 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C33H38O18 charge 0 mass 722.20581 reference lipidmapsM:LMPK12110232 InChIKey HJERPRJJPPOOLZ-UKRWHDPRSA-N InChI InChI=1S/C33H38O18/c1-11-22(39)26(43)28(45)31(49-11)20-24(41)19-14(35)7-15(12-3-5-13(34)6-4-12)50-30(19)21(25(20)42)32-29(46)27(44)23(40)16(51-32)10-48-18(38)9-33(2,47)8-17(36)37/h3-7,11,16,22-23,26-29,31-32,34,39-47H,8-10H2,1-2H3,(H,36,37)/t11?,16-,22-,23+,26-,27?,28?,29?,31-,32-,33?/m0/s1 SMILES CC1O[C@@H](c2c(O)c([C@@H]3O[C@@H](COC(=O)CC(C)(O)CC(=O)O)[C@@H](O)C(O)C3O)c3oc(-c4ccc(O)cc4)cc(=O)c3c2O)C(O)[C@@H](O)[C@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph